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@IAlibay IAlibay commented Jun 1, 2025

Fixes #212

TODO:

  • Update results gathering to have the individual repeats

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github-actions bot commented Jun 1, 2025

Binder 👈 Launch a binder notebook on branch OpenFreeEnergy/ExampleNotebooks/repeats-cli

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We'll need to update the python tutorial I think, at least the README says "this reproduces the setup stage of the CLI tutorial".

@atravitz atravitz changed the title [WIP] Adding details about --n-protocol-repeats to CLI tutorial Adding details about --n-protocol-repeats to CLI tutorial Jun 18, 2025
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Take this as an approval, but I would prefer see the flags have similar behaviour than introducting = in one case but not another (that'll be confusing to users)

@atravitz atravitz self-requested a review June 23, 2025 16:30
@atravitz atravitz enabled auto-merge (squash) June 23, 2025 16:30
@atravitz atravitz merged commit e0bb471 into main Jun 23, 2025
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@atravitz atravitz deleted the repeats-cli branch June 23, 2025 16:59
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CLI tutorial, add details on how to define the number of repeats

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